Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21784135 | 0.92 | ACE2 (0.36) | SPHK1ALDH1A1TDP1OPRM1TP53 | |
| SCHEMBL9882898 | 0.85 | LMNA (0.36) | SPHK1TSHR | |
| SCHEMBL18081221 | 0.79 | TSHR (0.32) | SPHK1TSHR | |
| SCHEMBL18912441 | 0.79 | TSHR (0.32) | SPHK1TSHR | |
| SCHEMBL25765449 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRDNM1SMN1; SMN2 | |
| SCHEMBL28874947 | 0.76 | ALDH1A1 (0.34) | SPHK1ALDH1A1TDP1TSHRDNM1 | |
| SCHEMBL11817761 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRDNM1SMN1; SMN2 | |
| SCHEMBL19233112 | 0.75 | SPHK1 (0.38) | SPHK1ALDH1A1TDP1TSHRDNM1 | |
| SCHEMBL598482 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TDP1TSHRDNM1SMN1; SMN2 | |
| SCHEMBL30299060 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TDP1TSHRDNM1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3082819-B1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2020-06-17 | — | — | EP | disclosed |